4-氧代环己烷四乙酸：在手性ε-酮酸中单一构象对映体的二聚体氢键作用和自发拆分
4-Oxocyclo-hexa-neacetic acid: catemeric hydrogen bonding and spontaneous resolution of a single conformational enanti-omer in an achiral ∊-keto acid.
作者信息
Barcon Alan, Brunskill Andrew P J, Lalancette Roger A, Thompson Hugh W
机构信息
Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 18;66(Pt 10):o2576-7. doi: 10.1107/S1600536810036652.
The asymmetric unit of the title compound, C(8)H(12)O(3), consists of a single conformational enanti-omer, which aggregates in the catemeric acid-to-ketone hydrogen-bonding mode [O⋯O = 2.682 (4) Å and O-H⋯O = 172 (6)°]. Four hydrogen-bonding chains of translationally related mol-ecules pass through the cell orthogonal to the 4(3) screw axis along c, alternating in the 110 and the 10 direction, with alignment with respect to this axis of + + - -. Successive chains are rotated by 90° around the c axis. One C-H⋯O=C close contact, involving the carboxyl group, exists.
标题化合物C₈H₁₂O₃的不对称单元由单个构象对映体组成，该对映体以酸到酮的氢键模式以链状二聚体形式聚集[O⋯O = 2.682 (4) Å，O-H⋯O = 172 (6)°]。沿c轴与4(3)螺旋轴正交穿过晶胞的四个平移相关分子的氢键链，在110和10方向交替，相对于该轴的排列为 + + - - 。连续的链围绕c轴旋转90°。存在一个涉及羧基的C-H⋯O=C紧密接触。
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